(4-hydroxycyclohexyl)azanium

C6H14NO+ — CID 5247649

IUPAC(4-hydroxycyclohexyl)azanium
SMILES[NH3+]C1CCC(O)CC1
InChIInChI=1S/C6H13NO/c7-5-1-3-6(8)4-2-5/h5-6,8H,1-4,7H2/p+1
InChIKeyIMLXLGZJLAOKJN-UHFFFAOYSA-O
MW116.18 g/mol
LogP-0.47
Rot. Bonds

About (4-hydroxycyclohexyl)azanium

(4-hydroxycyclohexyl)azanium (PubChem CID 5247649) has the molecular formula C6H14NO+ and a molecular weight of 116.18 g/mol. Its IUPAC name is (4-hydroxycyclohexyl)azanium.

Molecular Properties

Compound Name(4-hydroxycyclohexyl)azanium
PubChem CID5247649
Molecular FormulaC6H14NO+
Molecular Weight116.18 g/mol
Exact Mass116.11
IUPAC Name(4-hydroxycyclohexyl)azanium
SMILES[NH3+]C1CCC(O)CC1
InChIInChI=1S/C6H13NO/c7-5-1-3-6(8)4-2-5/h5-6,8H,1-4,7H2/p+1
InChIKeyIMLXLGZJLAOKJN-UHFFFAOYSA-O
XLogP-0.47
TPSA47.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.18
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxycyclohexyl)azanium?
The IUPAC name of (4-hydroxycyclohexyl)azanium (CID 5247649) is (4-hydroxycyclohexyl)azanium.
What is the SMILES notation for (4-hydroxycyclohexyl)azanium?
The canonical SMILES for (4-hydroxycyclohexyl)azanium is [NH3+]C1CCC(O)CC1.
What is the InChIKey of (4-hydroxycyclohexyl)azanium?
The InChIKey is IMLXLGZJLAOKJN-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H13NO/c7-5-1-3-6(8)4-2-5/h5-6,8H,1-4,7H2/p+1.
What are the key properties of (4-hydroxycyclohexyl)azanium?
(4-hydroxycyclohexyl)azanium has a molecular weight of 116.18 g/mol, XLogP of -0.47, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxycyclohexyl)azanium is sourced from PubChem (CID 5247649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).